CHROMIUM K(2)L(8)3S(2)3P(6)4S(1)3D(5), 7S
CHARGE = 24.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 20 15 9
NUMBER OF CLOSED SHELLS 3 2 0
NUMBER OF OPEN SHELLS 1 0 1
OPEN SHELL OCCUPATION NUMBER 1 0 5
*** FINAL SCF RESULTS ***
E = -1049.674679861
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -222.0334900 -26.5595630 -3.3411327 -0.2261321
S 1.6720450D+07 0.0000471 -0.0000143 -0.0000052 -0.0000011
S 1.8562330D+06 0.0001798 -0.0000546 -0.0000198 -0.0000042
S 3.4011640D+05 0.0005523 -0.0001679 -0.0000609 -0.0000130
S 8.2251290D+04 0.0015394 -0.0004690 -0.0001701 -0.0000363
S 2.3952950D+04 0.0041428 -0.0012671 -0.0004599 -0.0000982
S 8.0388140D+03 0.0108897 -0.0033532 -0.0012176 -0.0002599
S 3.0359990D+03 0.0277808 -0.0086807 -0.0031590 -0.0006755
S 1.2503650D+03 0.0672240 -0.0216151 -0.0078864 -0.0016821
S 5.4681130D+02 0.1471773 -0.0503509 -0.0185210 -0.0039717
S 2.4851830D+02 0.2683300 -0.1039462 -0.0387592 -0.0082744
S 1.1646040D+02 0.3443893 -0.1714009 -0.0660755 -0.0142974
S 5.5596390D+01 0.2361835 -0.1642448 -0.0663939 -0.0141777
S 2.5628230D+01 0.0503842 0.0903173 0.0405094 0.0083708
S 1.2574520D+01 -0.0010548 0.5162264 0.3013920 0.0696024
S 6.1323280D+00 0.0015199 0.4740258 0.4329847 0.1021426
S 2.7638940D+00 -0.0006303 0.0852951 -0.1336415 -0.0360796
S 1.2698890D+00 0.0002138 -0.0009271 -0.7323157 -0.2387455
S 5.4046700D-01 -0.0000798 0.0016023 -0.3925467 -0.2259877
S 9.1330410D-02 0.0000148 -0.0000439 -0.0101224 0.6048813
S 3.4052700D-02 -0.0000064 0.0001671 0.0033090 0.5363814
P 2P 3P
BASIS/ORB.ENERGY -22.1973740 -2.0621509
P 4.5934300D+04 0.0000339 -0.0000119
P 8.1994210D+03 0.0001915 -0.0000672
P 2.2710960D+03 0.0009735 -0.0003419
P 7.8380960D+02 0.0044058 -0.0015544
P 3.0984540D+02 0.0168371 -0.0059818
P 1.3463880D+02 0.0532146 -0.0192524
P 6.2371660D+01 0.1362602 -0.0507549
P 3.0305360D+01 0.2574451 -0.0999046
P 1.5543660D+01 0.3271364 -0.1332469
P 8.5085540D+00 0.2574515 -0.1030230
P 4.7615840D+00 0.1204867 0.0548031
P 2.4401090D+00 0.0213257 0.3250315
P 1.1984680D+00 0.0005605 0.4515668
P 5.6275310D-01 0.0005455 0.2795294
P 2.3645220D-01 0.0000088 0.0488011
D 3D
BASIS/ORB.ENERGY -0.3666886
D 2.3690590D+02 0.0005346
D 6.1089050D+01 0.0059125
D 2.1340960D+01 0.0308068
D 8.3996820D+00 0.1010658
D 3.5756720D+00 0.2233451
D 1.5447120D+00 0.3259470
D 6.5044710D-01 0.3419610
D 2.6032020D-01 0.2604911
D 9.6010580D-02 0.1046237